Materials Data on ZrH2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1200012· OSTI ID:1200012

The Materials Project

ZrH2 is Fluorite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Zr–H bond lengths are 2.09 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1200012
• Report Number(s): mp-24286
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ZrH2
H-Zr